4-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C17H15N3O4S/c1-21-12-5-3-10(7-14(12)22-2)16-18-19-17(25)20(16)11-4-6-13-15(8-11)24-9-23-13/h3-8H,9H2,1-2H3,(H,19,25)